1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol

C13H21NO3 — CID 116859497

IUPAC1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol
SMILESCNC(c1c(C)cc(OC)cc1OC)C(C)O
InChIInChI=1S/C13H21NO3/c1-8-6-10(16-4)7-11(17-5)12(8)13(14-3)9(2)15/h6-7,9,13-15H,1-5H3
InChIKeyNIFVLXLLJLULLE-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.65
Rot. Bonds5

About 1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol

1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol (PubChem CID 116859497) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol
PubChem CID116859497
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol
SMILESCNC(c1c(C)cc(OC)cc1OC)C(C)O
InChIInChI=1S/C13H21NO3/c1-8-6-10(16-4)7-11(17-5)12(8)13(14-3)9(2)15/h6-7,9,13-15H,1-5H3
InChIKeyNIFVLXLLJLULLE-UHFFFAOYSA-N
XLogP1.65
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 116948929
1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
CID 116962144
1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
CID 116961980
2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine
CID 116952676
1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
CID 116859416
N-methyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 43483000
2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene
CID 91355849
1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
CID 116949911
2-bromo-1-(2,4-dimethoxy-6-methylphenyl)ethanol
CID 116863258
1-(2,4-dimethoxy-6-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 116948303
(E)-4-(2,4-dimethoxy-6-methylphenyl)-4-(methylamino)but-2-enoic acid
CID 116956367
methylamino-(2,4,6-trimethoxyphenyl)methanethiol
CID 116954536

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol?
The IUPAC name of 1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol (CID 116859497) is 1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol?
The canonical SMILES for 1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol is CNC(c1c(C)cc(OC)cc1OC)C(C)O.
What is the InChIKey of 1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol?
The InChIKey is NIFVLXLLJLULLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-8-6-10(16-4)7-11(17-5)12(8)13(14-3)9(2)15/h6-7,9,13-15H,1-5H3.
What are the key properties of 1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol?
1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol has a molecular weight of 239.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol is sourced from PubChem (CID 116859497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).